3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide

C17H15ClN4O3S — CID 130226587

IUPAC3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide
SMILESO=C(Nc1nccn2c([C@@H]3SC[C@@H](O)[C@H]3O)cnc12)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O3S/c18-10-3-1-2-9(6-10)17(25)21-15-16-20-7-11(22(16)5-4-19-15)14-13(24)12(23)8-26-14/h1-7,12-14,23-24H,8H2,(H,19,21,25)/t12-,13-,14+/m1/s1
InChIKeyBHNFZABBEQCRAB-MCIONIFRSA-N
MW390.85 g/mol
LogP2.14
Rot. Bonds3

About 3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide

3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide (PubChem CID 130226587) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide
PubChem CID130226587
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide
SMILESO=C(Nc1nccn2c([C@@H]3SC[C@@H](O)[C@H]3O)cnc12)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O3S/c18-10-3-1-2-9(6-10)17(25)21-15-16-20-7-11(22(16)5-4-19-15)14-13(24)12(23)8-26-14/h1-7,12-14,23-24H,8H2,(H,19,21,25)/t12-,13-,14+/m1/s1
InChIKeyBHNFZABBEQCRAB-MCIONIFRSA-N
XLogP2.14
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide?
The IUPAC name of 3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide (CID 130226587) is 3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide is O=C(Nc1nccn2c([C@@H]3SC[C@@H](O)[C@H]3O)cnc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide?
The InChIKey is BHNFZABBEQCRAB-MCIONIFRSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c18-10-3-1-2-9(6-10)17(25)21-15-16-20-7-11(22(16)5-4-19-15)14-13(24)12(23)8-26-14/h1-7,12-14,23-24H,8H2,(H,19,21,25)/t12-,13-,14+/m1/s1.
What are the key properties of 3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide?
3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide has a molecular weight of 390.85 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[(2S,3R,4S)-3,4-dihydroxythiolan-2-yl]imidazo[1,2-a]pyrazin-8-yl]benzamide is sourced from PubChem (CID 130226587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).